5-methyl-7-oxabicyclo[2.2.1]hept-2-ene

C7H10O — CID 18711504

IUPAC5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC2C=CC1O2
InChIInChI=1S/C7H10O/c1-5-4-6-2-3-7(5)8-6/h2-3,5-7H,4H2,1H3
InChIKeyKWAGVQQSGJXHTD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.35
Rot. Bonds

About 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene

5-methyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 18711504) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID18711504
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1CC2C=CC1O2
InChIInChI=1S/C7H10O/c1-5-4-6-2-3-7(5)8-6/h2-3,5-7H,4H2,1H3
InChIKeyKWAGVQQSGJXHTD-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 18711504) is 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene is CC1CC2C=CC1O2.
What is the InChIKey of 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is KWAGVQQSGJXHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-4-6-2-3-7(5)8-6/h2-3,5-7H,4H2,1H3.
What are the key properties of 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
5-methyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 110.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 18711504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).